[(E)-(2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-ylidene)amino] 3-nitrobenzoate

Systemtic Name: [(E)-(2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-ylidene)amino] 3-nitrobenzoate Openeye Name: [(E)-(5-isopropenyl-2-methyl-cyclohex-2-en-1-ylidene)amino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(E)-[2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enylidene]amino] ester IUPAC Name: [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(E)-(5-isopropenyl-2-methyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1=NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=C)C

Isomeric SMILES

CC\1=CCC(C/C1=N\OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=C)C

InChI

InChI=1S/C17H18N2O4/c1-11(2)13-8-7-12(3)16(10-13)18-23-17(20)14-5-4-6-15(9-14)19(21)22/h4-7,9,13H,1,8,10H2,2-3H3/b18-16+