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

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C21H18N4O8 MolecularWeight: 454.38962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O8/c1-13-18(24(28)29)10-15(11-19(13)25(30)31)21(27)33-17-5-3-14(4-6-17)9-16(12-22)20(26)23-7-8-32-2/h3-6,9-11H,7-8H2,1-2H3,(H,23,26)/b16-9+