[1-[(Z)-1,2,4-triazol-4-yliminomethyl]naphthalen-2-yl] 3-nitrobenzoate

Systemtic Name: [1-[(Z)-1,2,4-triazol-4-yliminomethyl]naphthalen-2-yl] 3-nitrobenzoate Openeye Name: [1-[(Z)-1,2,4-triazol-4-yliminomethyl]-2-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[(Z)-1,2,4-triazol-4-yliminomethyl]-2-naphthalenyl] ester IUPAC Name: [1-[(Z)-1,2,4-triazol-4-yliminomethyl]naphthalen-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-[(Z)-1,2,4-triazol-4-yliminomethyl]-2-naphthyl] ester Formula: C20H13N5O4 MolecularWeight: 387.34832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C=NN3C=NN=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2/C=N\N3C=NN=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O4/c26-20(15-5-3-6-16(10-15)25(27)28)29-19-9-8-14-4-1-2-7-17(14)18(19)11-23-24-12-21-22-13-24/h1-13H/b23-11-