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

Systemtic Name: 3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 4-chloranyl-3-nitro-benzoate Openeye Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-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-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid 3-[(2-ketochromene-3-carbonyl)amino]propyl ester Formula: C20H15ClN2O7 MolecularWeight: 430.7953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCCOC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCCOC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O7/c21-15-7-6-13(11-16(15)23(27)28)19(25)29-9-3-8-22-18(24)14-10-12-4-1-2-5-17(12)30-20(14)26/h1-2,4-7,10-11H,3,8-9H2,(H,22,24)