[1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 2-nitrobenzoate

Systemtic Name: [1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 2-nitrobenzoate Openeye Name: [1-(2-amino-2-oxo-ethyl)-6-carbamimidoyl-2-naphthyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(2-amino-2-oxoethyl)-6-carbamimidoyl-2-naphthalenyl] ester IUPAC Name: [1-(2-amino-2-oxoethyl)-6-carbamimidoylnaphthalen-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [6-amidino-1-(2-amino-2-keto-ethyl)-2-naphthyl] ester Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c21-18(25)10-15-13-7-5-12(19(22)23)9-11(13)6-8-17(15)29-20(26)14-3-1-2-4-16(14)24(27)28/h1-9H,10H2,(H2,21,25)(H3,22,23)