2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate

Systemtic Name: 2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate Openeye Name: 2-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate CAS Name: 2-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-propylphenolate IUPAC Name: 2-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-propylphenolate Traditional Name: 2-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate Formula: C16H15N2O4- MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)[O-])NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C=C1)[O-])NC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-2-3-11-4-6-16(20)14(8-11)17-10-12-9-13(18(21)22)5-7-15(12)19/h4-10,17,20H,2-3H2,1H3/p-1