3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide Openeye Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-nitroanilino)ethyl]propanamide CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-nitroanilino)ethyl]propanamide Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)-N-[2-(2-nitroanilino)ethyl]propionamide Formula: C18H17ClN4O5 MolecularWeight: 404.80438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5/c19-12-5-6-15-16(11-12)28-18(25)22(15)10-7-17(24)21-9-8-20-13-3-1-2-4-14(13)23(26)27/h1-6,11,20H,7-10H2,(H,21,24)