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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-4-nitro-benzoate Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-4-nitro-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-4-nitrobenzoate IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-4-nitrobenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-4-nitro-benzoate Formula: C21H15N4O5- MolecularWeight: 403.3676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O5/c22-19(23)12-5-7-13(8-6-12)24-20(26)16-4-2-1-3-15(16)18-11-14(25(29)30)9-10-17(18)21(27)28/h1-11H,(H3,22,23)(H,24,26)(H,27,28)/p-1