N-[(E)-(2-chloranyl-3-methyl-cyclohexa-1,3-dien-1-yl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(2-chloranyl-3-methyl-cyclohexa-1,3-dien-1-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(2-chloro-3-methyl-cyclohexa-1,3-dien-1-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(2-chloro-3-methyl-1-cyclohexa-1,3-dienyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(2-chloro-3-methylcyclohexa-1,3-dien-1-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(2-chloro-3-methyl-cyclohexa-1,3-dien-1-yl)methyleneamino]-(2,4-dinitrophenyl)amine Formula: C14H13ClN4O4 MolecularWeight: 336.73042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(=C1Cl)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CCCC(=C1Cl)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN4O4/c1-9-3-2-4-10(14(9)15)8-16-17-12-6-5-11(18(20)21)7-13(12)19(22)23/h3,5-8,17H,2,4H2,1H3/b16-8+