[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 8-azanylnaphthalene-1-carboxylate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 8-azanylnaphthalene-1-carboxylate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 8-aminonaphthalene-1-carboxylate CAS Name: 8-amino-1-naphthalenecarboxylic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 8-aminonaphthalene-1-carboxylate Traditional Name: 8-aminonaphthalene-1-carboxylic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C20H14N4O5S MolecularWeight: 422.41396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C(=CC=C2)N

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C(=CC=C2)N

InChI

InChI=1S/C20H14N4O5S/c21-14-6-2-4-11-3-1-5-13(18(11)14)19(26)29-10-17(25)23-20-22-15-8-7-12(24(27)28)9-16(15)30-20/h1-9H,10,21H2,(H,22,23,25)