[2-methoxy-4-(2-phenylethenyl)phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-methoxy-4-(2-phenylethenyl)phenyl] 3,5-dinitrobenzoate Openeye Name: (2-methoxy-4-styryl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-methoxy-4-(2-phenylethenyl)phenyl] ester IUPAC Name: [2-methoxy-4-(2-phenylethenyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-methoxy-4-styryl-phenyl) ester Formula: C22H16N2O7 MolecularWeight: 420.37164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O7/c1-30-21-11-16(8-7-15-5-3-2-4-6-15)9-10-20(21)31-22(25)17-12-18(23(26)27)14-19(13-17)24(28)29/h2-14H,1H3