[(E)-[5,6-bis(chloranyl)-6-methyl-4-oxidanylidene-3-propan-2-yl-cyclohex-2-en-1-ylidene]amino] 4-nitrobenzoate

Systemtic Name: [(E)-[5,6-bis(chloranyl)-6-methyl-4-oxidanylidene-3-propan-2-yl-cyclohex-2-en-1-ylidene]amino] 4-nitrobenzoate Openeye Name: [(E)-(5,6-dichloro-3-isopropyl-6-methyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-(5,6-dichloro-6-methyl-4-oxo-3-propan-2-yl-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(E)-(5,6-dichloro-6-methyl-4-oxo-3-propan-2-ylcyclohex-2-en-1-ylidene)amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-(5,6-dichloro-3-isopropyl-4-keto-6-methyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C17H16Cl2N2O5 MolecularWeight: 399.22534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C(C1=O)Cl)(C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N2O5/c1-9(2)12-8-13(17(3,19)15(18)14(12)22)20-26-16(23)10-4-6-11(7-5-10)21(24)25/h4-9,15H,1-3H3/b20-13+