[4-(1,3-benzodioxol-5-ylamino)-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylamino)-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-(1,3-benzodioxol-5-ylamino)-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-(1,3-benzodioxol-5-ylamino)-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylamino)-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-(1,3-benzodioxol-5-ylamino)-3-nitro-phenyl]-morpholino-methanone Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c22-18(20-5-7-25-8-6-20)12-1-3-14(15(9-12)21(23)24)19-13-2-4-16-17(10-13)27-11-26-16/h1-4,9-10,19H,5-8,11H2