3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 4-methyl-3-nitro-benzoate

Systemtic Name: 3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 4-methyl-3-nitro-benzoate Openeye Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propyl ester IUPAC Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 3-[(2-ketochromene-3-carbonyl)amino]propyl ester Formula: C21H18N2O7 MolecularWeight: 410.37682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCNC(=O)C2=CC3=CC=CC=C3OC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCNC(=O)C2=CC3=CC=CC=C3OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7/c1-13-7-8-15(12-17(13)23(27)28)20(25)29-10-4-9-22-19(24)16-11-14-5-2-3-6-18(14)30-21(16)26/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,24)