3-[2-[bis(azanyl)methylideneamino]-4-nitro-phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-[bis(azanyl)methylideneamino]-4-nitro-phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(2-guanidino-4-nitro-phenyl)propanoic acid CAS Name: 3-[2-(diaminomethylideneamino)-4-nitrophenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[2-(diaminomethylideneamino)-4-nitrophenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(2-guanidino-4-nitro-phenyl)propionic acid Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=C(C=C(C=C2)[N+](=O)[O-])N=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=C(C=C(C=C2)[N+](=O)[O-])N=C(N)N)C(=O)O

InChI

InChI=1S/C18H19N5O6/c19-17(20)21-14-9-13(23(27)28)7-6-12(14)8-15(16(24)25)22-18(26)29-10-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2,(H,22,26)(H,24,25)(H4,19,20,21)