5-methyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-propan-2-yl-phenolate

Systemtic Name: 5-methyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-propan-2-yl-phenolate Openeye Name: 2-isopropyl-5-methyl-4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 5-methyl-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-propan-2-ylphenolate IUPAC Name: 5-methyl-4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2-propan-2-ylphenolate Traditional Name: 2-isopropyl-4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-methyl-phenolate Formula: C17H17N2O4- MolecularWeight: 313.32788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)[O-])C(C)C)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1)[O-])C(C)C)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

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