(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCC(=O)OCC2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCC(=O)OCC2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c22-18(8-3-9-19-14-5-1-2-6-15(14)21(23)24)25-12-13-11-16(26-20-13)17-7-4-10-27-17/h1-2,4-7,10-11,19H,3,8-9,12H2