1,3-benzothiazol-2-ylmethyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c22-18(25-12-17-20-14-7-2-4-9-16(14)26-17)10-5-11-19-13-6-1-3-8-15(13)21(23)24/h1-4,6-9,19H,5,10-12H2