(3-aminocarbonyl-6-hexyl-7-oxidanyl-chromen-2-ylidene)-[(4-nitrophenyl)carbonylamino]azanium

Systemtic Name: (3-aminocarbonyl-6-hexyl-7-oxidanyl-chromen-2-ylidene)-[(4-nitrophenyl)carbonylamino]azanium Openeye Name: (3-carbamoyl-6-hexyl-7-hydroxy-chromen-2-ylidene)-[(4-nitrobenzoyl)amino]ammonium CAS Name: (3-carbamoyl-6-hexyl-7-hydroxy-1-benzopyran-2-ylidene)-[[(4-nitrophenyl)-oxomethyl]amino]ammonium IUPAC Name: (3-carbamoyl-6-hexyl-7-hydroxychromen-2-ylidene)-[(4-nitrobenzoyl)amino]azanium Traditional Name: (3-carbamoyl-6-hexyl-7-hydroxy-chromen-2-ylidene)-[(4-nitrobenzoyl)amino]ammonium Formula: C23H25N4O6+ MolecularWeight: 453.4678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=[NH+]NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O2)C(=O)N)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=[NH+]NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O2)C(=O)N)O

InChI

InChI=1S/C23H24N4O6/c1-2-3-4-5-6-15-11-16-12-18(21(24)29)23(33-20(16)13-19(15)28)26-25-22(30)14-7-9-17(10-8-14)27(31)32/h7-13,28H,2-6H2,1H3,(H2,24,29)(H,25,30)/p+1