2-[cyclopropylmethyl-(4-nitro-1,3-benzothiazol-5-yl)amino]ethanoic acid

Systemtic Name: 2-[cyclopropylmethyl-(4-nitro-1,3-benzothiazol-5-yl)amino]ethanoic acid Openeye Name: 2-[cyclopropylmethyl-(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid CAS Name: 2-[cyclopropylmethyl-(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid IUPAC Name: 2-[cyclopropylmethyl-(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid Traditional Name: 2-[cyclopropylmethyl-(4-nitro-1,3-benzothiazol-5-yl)amino]acetic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CC1CN(CC(=O)O)C2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c17-11(18)6-15(5-8-1-2-8)9-3-4-10-12(14-7-21-10)13(9)16(19)20/h3-4,7-8H,1-2,5-6H2,(H,17,18)