[(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-nitrobenzoate

Systemtic Name: [(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-nitrobenzoate Openeye Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(3Z)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(3Z)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-21(2)17-9-4-5-10-18(17)22(3)19(21)12-16(24)13-28-20(25)14-7-6-8-15(11-14)23(26)27/h4-12H,13H2,1-3H3/b19-12-