[4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H22N4O8 MolecularWeight: 482.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])OC)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])OC)/C#N

InChI

InChI=1S/C23H22N4O8/c1-4-5-8-25-22(28)17(13-24)9-15-6-7-20(21(10-15)34-3)35-23(29)16-11-18(26(30)31)14(2)19(12-16)27(32)33/h6-7,9-12H,4-5,8H2,1-3H3,(H,25,28)/b17-9+