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

Systemtic Name: [(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-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-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(3E)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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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)NC)[N+](=O)[O-])C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-22(2)16-7-5-6-8-18(16)24(4)20(22)12-15(26)13-30-21(27)14-9-10-17(23-3)19(11-14)25(28)29/h5-12,23H,13H2,1-4H3/b20-12+