methoxymethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-nitro-benzoate

Systemtic Name: methoxymethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-nitro-benzoate Openeye Name: methoxymethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-nitro-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-nitrobenzoic acid methoxymethyl ester IUPAC Name: methoxymethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-nitrobenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-nitro-benzoic acid methoxymethyl ester Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

COCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H20N4O6/c1-32-13-33-23(29)20-12-16(27(30)31)10-11-18(20)17-4-2-3-5-19(17)22(28)26-15-8-6-14(7-9-15)21(24)25/h2-12H,13H2,1H3,(H3,24,25)(H,26,28)