3-nitro-N1-propan-2-yl-benzene-1,2-dicarboxamide

Systemtic Name: 3-nitro-N1-propan-2-yl-benzene-1,2-dicarboxamide Openeye Name: N1-isopropyl-3-nitro-phthalamide CAS Name: 3-nitro-N1-propan-2-ylbenzene-1,2-dicarboxamide IUPAC Name: 3-nitro-1-N-propan-2-ylbenzene-1,2-dicarboxamide Traditional Name: N-isopropyl-3-nitro-phthalamide Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(C)NC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C11H13N3O4/c1-6(2)13-11(16)7-4-3-5-8(14(17)18)9(7)10(12)15/h3-6H,1-2H3,(H2,12,15)(H,13,16)