(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C24H18N2O6 MolecularWeight: 430.40952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O6/c27-22-12-16(23-18-4-2-1-3-14(18)6-10-21(23)32-22)13-31-24(28)15-5-9-19(25-17-7-8-17)20(11-15)26(29)30/h1-6,9-12,17,25H,7-8,13H2