[6-[2-[bis(azanyl)methylideneamino]-2-oxidanylidene-ethyl]naphthalen-2-yl] 4-nitrobenzoate

Systemtic Name: [6-[2-[bis(azanyl)methylideneamino]-2-oxidanylidene-ethyl]naphthalen-2-yl] 4-nitrobenzoate Openeye Name: [6-(2-guanidino-2-oxo-ethyl)-2-naphthyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-[2-(diaminomethylideneamino)-2-oxoethyl]-2-naphthalenyl] ester IUPAC Name: [6-[2-(diaminomethylideneamino)-2-oxoethyl]naphthalen-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-(2-guanidino-2-keto-ethyl)-2-naphthyl] ester Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)CC(=O)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)CC(=O)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c21-20(22)23-18(25)10-12-1-2-15-11-17(8-5-14(15)9-12)29-19(26)13-3-6-16(7-4-13)24(27)28/h1-9,11H,10H2,(H4,21,22,23,25)