(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-nitrophenyl)amino]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-nitrophenyl)amino]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitroanilino)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitroanilino)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitroanilino)propanamide Traditional Name: (2R)-2-(3-nitroanilino)-N-piperonyl-propionamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-11(19-13-3-2-4-14(8-13)20(22)23)17(21)18-9-12-5-6-15-16(7-12)25-10-24-15/h2-8,11,19H,9-10H2,1H3,(H,18,21)/t11-/m1/s1