3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 4-methyl-3,5-dinitro-benzoate

Systemtic Name: 3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 4-methyl-3,5-dinitro-benzoate Openeye Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid 3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propyl ester IUPAC Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid 3-[(2-ketochromene-3-carbonyl)amino]propyl ester Formula: C21H17N3O9 MolecularWeight: 455.37438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O9/c1-12-16(23(28)29)10-14(11-17(12)24(30)31)20(26)32-8-4-7-22-19(25)15-9-13-5-2-3-6-18(13)33-21(15)27/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,22,25)