3-[(2-nitro-4-sulfamoyl-phenyl)amino]-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)propanamide

Systemtic Name: 3-[(2-nitro-4-sulfamoyl-phenyl)amino]-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)propanamide Openeye Name: 3-(2-nitro-4-sulfamoyl-anilino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide CAS Name: 3-(2-nitro-4-sulfamoylanilino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide IUPAC Name: 3-(2-nitro-4-sulfamoylanilino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide Traditional Name: N-(3-keto-4H-1,4-benzoxazin-6-yl)-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C17H17N5O7S MolecularWeight: 435.41118

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O7S/c18-30(27,28)11-2-3-12(14(8-11)22(25)26)19-6-5-16(23)20-10-1-4-15-13(7-10)21-17(24)9-29-15/h1-4,7-8,19H,5-6,9H2,(H,20,23)(H,21,24)(H2,18,27,28)