2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-nitro-benzoic acid

Systemtic Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-nitro-benzoic acid Openeye Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-nitro-benzoic acid CAS Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-nitrobenzoic acid IUPAC Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-nitrobenzoic acid Traditional Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-nitro-benzoic acid Formula: C15H11N3O4S MolecularWeight: 329.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H11N3O4S/c1-8-3-2-4-12-13(8)17-15(23-12)16-11-7-9(18(21)22)5-6-10(11)14(19)20/h2-7H,1H3,(H,16,17)(H,19,20)