methyl 3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-3-phenyl-propanoate CAS Name: 3-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-3-phenylpropanoate Traditional Name: 3-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7/c1-30-20(26)13-16(14-6-3-2-4-7-14)22-19(25)8-5-11-23-17-10-9-15(24(28)29)12-18(17)31-21(23)27/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,22,25)