2-azanyl-3-[N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]-6-hexyl-chromen-7-one

Systemtic Name: 2-azanyl-3-[N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]-6-hexyl-chromen-7-one Openeye Name: 2-amino-3-[N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-6-hexyl-chromen-7-one CAS Name: 2-amino-3-[1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-6-hexyl-1-benzopyran-7-one IUPAC Name: 2-amino-3-[N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-6-hexylchromen-7-one Traditional Name: 2-amino-3-[N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-6-hexyl-chromen-7-one Formula: C23H25N5O6 MolecularWeight: 467.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC(=C(OC2=CC1=O)N)C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCCCCCC1=CC2=CC(=C(OC2=CC1=O)N)C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C23H25N5O6/c1-3-4-5-6-7-15-10-16-11-18(23(24)34-22(16)13-21(15)29)14(2)25-26-19-9-8-17(27(30)31)12-20(19)28(32)33/h8-13,26H,3-7,24H2,1-2H3