[1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate

Systemtic Name: [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate Openeye Name: [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazono)methyl]-2-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazinylidene)methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazono)methyl]-2-naphthyl] ester Formula: C24H22N4O4 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NN=CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NN=CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4/c29-24(18-8-6-9-19(15-18)28(30)31)32-22-13-12-17-7-3-4-10-20(17)21(22)16-26-27-23-11-2-1-5-14-25-23/h3-4,6-10,12-13,15-16H,1-2,5,11,14H2,(H,25,27)