[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O5/c1-12(20(25)15-11-22-17-5-3-2-4-14(15)17)28-19(24)9-7-13-6-8-16(21)18(10-13)23(26)27/h2-12,22H,1H3/b9-7+