[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(3E)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(3E)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C/C(=O)COC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H25N3O5/c1-23(2)17-8-6-7-9-18(17)25(5)21(23)13-16(27)14-31-22(28)15-10-11-19(24(3)4)20(12-15)26(29)30/h6-13H,14H2,1-5H3/b21-13+