(4-nitrophenyl)methyl N-[N'-[12-[[azanyl-[(4-nitrophenyl)methoxycarbonylamino]methylidene]amino]dodecyl]carbamimidoyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[N'-[12-[[azanyl-[(4-nitrophenyl)methoxycarbonylamino]methylidene]amino]dodecyl]carbamimidoyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[N'-[12-[[amino-[(4-nitrophenyl)methoxycarbonylamino]methylene]amino]dodecyl]carbamimidoyl]carbamate CAS Name: N-[amino-[12-[[amino-[[(4-nitrophenyl)methoxy-oxomethyl]amino]methylidene]amino]dodecylimino]methyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[N'-[12-[[amino-[(4-nitrophenyl)methoxycarbonylamino]methylidene]amino]dodecyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[12-[[amino-[(4-nitrobenzyl)oxycarbonylamino]methylene]amino]dodecyl]amidino]carbamic acid (4-nitrobenzyl) ester Formula: C30H42N8O8 MolecularWeight: 642.70328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NC(=NCCCCCCCCCCCCN=C(N)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NC(=NCCCCCCCCCCCCN=C(N)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C30H42N8O8/c31-27(35-29(39)45-21-23-11-15-25(16-12-23)37(41)42)33-19-9-7-5-3-1-2-4-6-8-10-20-34-28(32)36-30(40)46-22-24-13-17-26(18-14-24)38(43)44/h11-18H,1-10,19-22H2,(H3,31,33,35,39)(H3,32,34,36,40)