N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitroanilino)propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitroanilino)propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitroanilino)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitroanilino)propionamide Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])OC1

InChI

InChI=1S/C18H19N3O5/c22-18(8-9-19-14-4-1-2-5-15(14)21(23)24)20-13-6-7-16-17(12-13)26-11-3-10-25-16/h1-2,4-7,12,19H,3,8-11H2,(H,20,22)