3-[(E)-3-(2,2-dimethyl-6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one

Systemtic Name: 3-[(E)-3-(2,2-dimethyl-6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[(E)-3-(2,2-dimethyl-6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[(E)-3-(2,2-dimethyl-6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-6-nitro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[(E)-3-(2,2-dimethyl-6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[(E)-3-(2,2-dimethyl-6-nitro-1,3-benzodioxol-5-yl)acryloyl]-6-nitro-4-phenyl-carbostyril Formula: C27H19N3O8 MolecularWeight: 513.45506

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C(=C2)C=CC(=O)C3=C(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C(=C2)/C=C/C(=O)C3=C(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C27H19N3O8/c1-27(2)37-22-12-16(20(30(35)36)14-23(22)38-27)8-11-21(31)25-24(15-6-4-3-5-7-15)18-13-17(29(33)34)9-10-19(18)28-26(25)32/h3-14H,1-2H3,(H,28,32)/b11-8+