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N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name:N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide
Openeye Name:N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CAS Name:N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
IUPAC Name:N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-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-(2-methoxy-5-methyl-phenyl)ethyl]butyramide
Formula: C21H23N3O6
MolecularWeight: 413.42382
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O


Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O


InChI

InChI=1S/C21H23N3O6/c1-13-6-9-18(29-3)16(11-13)14(2)22-20(25)5-4-10-23-17-8-7-15(24(27)28)12-19(17)30-21(23)26/h6-9,11-12,14H,4-5,10H2,1-3H3,(H,22,25)/t14-/m0/s1


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