5-tert-butyl-2-[(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)NC=C2C=CC=C(C2=O)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)NC=C2C=CC=C(C2=O)[N+](=O)[O-])[O-]

InChI

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