N-[(1S)-1-(4-methylphenyl)propyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(1S)-1-(4-methylphenyl)propyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(p-tolyl)propyl]butanamide CAS Name: N-[(1S)-1-(4-methylphenyl)propyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(1S)-1-(4-methylphenyl)propyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[(1S)-1-(p-tolyl)propyl]butyramide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H23N3O5/c1-3-17(15-8-6-14(2)7-9-15)22-20(25)5-4-12-23-18-11-10-16(24(27)28)13-19(18)29-21(23)26/h6-11,13,17H,3-5,12H2,1-2H3,(H,22,25)/t17-/m0/s1