N-tert-butyl-N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-nitro-benzamide

Systemtic Name: N-tert-butyl-N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-nitro-benzamide Openeye Name: N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-nitro-benzamide CAS Name: N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzamide IUPAC Name: N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzamide Traditional Name: N-tert-butyl-N-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-3-nitro-benzamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C22H23N3O4/c1-14-8-9-15-11-17(20(26)23-19(15)10-14)13-24(22(2,3)4)21(27)16-6-5-7-18(12-16)25(28)29/h5-12H,13H2,1-4H3,(H,23,26)