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

Systemtic Name: 4-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Openeye Name: 4-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate CAS Name: 4-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate IUPAC Name: 4-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Traditional Name: 4-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Formula: C21H13ClN3O5- MolecularWeight: 422.79802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl)[O-]

InChI

InChI=1S/C21H14ClN3O5/c1-11-2-5-19-16(6-11)24-21(30-19)15-9-14(3-4-18(15)26)23-10-12-7-13(22)8-17(20(12)27)25(28)29/h2-10,23,26H,1H3/p-1