[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-methoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-[(2,4-dinitrophenyl)hydrazono]methyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-[(2,4-dinitrophenyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C21H15N5O9 MolecularWeight: 481.3719

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O9/c1-34-20-9-13(12-22-23-17-7-6-16(25(30)31)11-18(17)26(32)33)5-8-19(20)35-21(27)14-3-2-4-15(10-14)24(28)29/h2-12,23H,1H3/b22-12+