[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C17H13N3O9 MolecularWeight: 403.29982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)C=C[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)/C=C/[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O9/c1-10-13(19(24)25)8-12(9-14(10)20(26)27)17(21)29-15-4-3-11(5-6-18(22)23)7-16(15)28-2/h3-9H,1-2H3/b6-5+