tert-butyl N-[1-[(2-azanyl-5-nitro-phenyl)amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(2-azanyl-5-nitro-phenyl)amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(2-amino-5-nitro-anilino)-1-(benzyloxymethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-(2-amino-5-nitroanilino)-1-oxo-3-phenylmethoxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-amino-5-nitroanilino)-1-oxo-3-phenylmethoxypropan-2-yl]carbamate Traditional Name: N-[2-(2-amino-5-nitro-anilino)-1-(benzoxymethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C21H26N4O6/c1-21(2,3)31-20(27)24-18(13-30-12-14-7-5-4-6-8-14)19(26)23-17-11-15(25(28)29)9-10-16(17)22/h4-11,18H,12-13,22H2,1-3H3,(H,23,26)(H,24,27)