[4-azanyl-2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone

Systemtic Name: [4-azanyl-2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone Openeye Name: [4-amino-2-(1,3-benzodioxol-5-ylamino)thiazol-5-yl]-(2-nitrophenyl)methanone CAS Name: [4-amino-2-(1,3-benzodioxol-5-ylamino)-5-thiazolyl]-(2-nitrophenyl)methanone IUPAC Name: [4-amino-2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone Traditional Name: [4-amino-2-(1,3-benzodioxol-5-ylamino)thiazol-5-yl]-(2-nitrophenyl)methanone Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC=CC=C4[N+](=O)[O-])N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC=CC=C4[N+](=O)[O-])N

InChI

InChI=1S/C17H12N4O5S/c18-16-15(14(22)10-3-1-2-4-11(10)21(23)24)27-17(20-16)19-9-5-6-12-13(7-9)26-8-25-12/h1-7H,8,18H2,(H,19,20)