3-[(2-methylpiperidin-1-yl)methyl]-6-(4-nitrophenyl)carbonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[(2-methylpiperidin-1-yl)methyl]-6-(4-nitrophenyl)carbonyl-1,3-benzoxazol-2-one Openeye Name: 3-[(2-methyl-1-piperidyl)methyl]-6-(4-nitrobenzoyl)-1,3-benzoxazol-2-one CAS Name: 3-[(2-methyl-1-piperidinyl)methyl]-6-[(4-nitrophenyl)-oxomethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(2-methylpiperidin-1-yl)methyl]-6-(4-nitrobenzoyl)-1,3-benzoxazol-2-one Traditional Name: 3-[(2-methylpiperidino)methyl]-6-(4-nitrobenzoyl)-1,3-benzoxazol-2-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1CCCCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H21N3O5/c1-14-4-2-3-11-22(14)13-23-18-10-7-16(12-19(18)29-21(23)26)20(25)15-5-8-17(9-6-15)24(27)28/h5-10,12,14H,2-4,11,13H2,1H3