3-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]-6-nitro-chromen-2-one

Systemtic Name: 3-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]-6-nitro-chromen-2-one Openeye Name: 3-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-6-nitro-chromen-2-one CAS Name: 3-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-6-nitrochromen-2-one Traditional Name: 3-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-6-nitro-coumarin Formula: C17H11N5O8 MolecularWeight: 413.29794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C17H11N5O8/c1-9(18-19-14-4-2-12(21(26)27)8-15(14)22(28)29)13-7-10-6-11(20(24)25)3-5-16(10)30-17(13)23/h2-8,19H,1H3/b18-9+