5,5-dimethyl-2-[(E)-3-[(4-nitrophenyl)amino]prop-2-enoyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(E)-3-[(4-nitrophenyl)amino]prop-2-enoyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(E)-3-(4-nitroanilino)prop-2-enoyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(E)-3-(4-nitroanilino)-1-oxoprop-2-enyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(E)-3-(4-nitroanilino)prop-2-enoyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(E)-3-(4-nitroanilino)acryloyl]cyclohexane-1,3-quinone Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=O)C=CNC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)/C=C/NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O5/c1-17(2)9-14(21)16(15(22)10-17)13(20)7-8-18-11-3-5-12(6-4-11)19(23)24/h3-8,16,18H,9-10H2,1-2H3/b8-7+