2-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate

Systemtic Name: 2-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate Openeye Name: 2-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate CAS Name: 2-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-propylphenolate IUPAC Name: 2-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-propylphenolate Traditional Name: 2-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-propyl-phenolate Formula: C16H14ClN2O4- MolecularWeight: 333.74636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)[O-])NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=CC(=C(C=C1)[O-])NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O4/c1-2-3-10-4-5-15(20)13(6-10)18-9-11-7-12(17)8-14(16(11)21)19(22)23/h4-9,18,20H,2-3H2,1H3/p-1