(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-nitro-phenyl]benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-nitro-phenyl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-nitro-phenyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-nitrophenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-nitrophenyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-nitro-phenyl]benzoic acid benzyl ester Formula: C28H22N4O5 MolecularWeight: 494.49808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H22N4O5/c29-26(30)19-10-12-20(13-11-19)31-27(33)25-16-21(32(35)36)14-15-23(25)22-8-4-5-9-24(22)28(34)37-17-18-6-2-1-3-7-18/h1-16H,17H2,(H3,29,30)(H,31,33)