[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H16N2O7/c1-12-21(14-4-2-3-5-15(14)22-12)17(24)10-28-20(25)7-6-13-8-18-19(30-11-29-18)9-16(13)23(26)27/h2-9,22H,10-11H2,1H3/b7-6+