2-azanyl-N-[2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-nitro-benzamide

Systemtic Name: 2-azanyl-N-[2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-nitro-benzamide Openeye Name: 2-amino-N-[2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]amino]-2-oxo-ethyl]-5-nitro-benzamide CAS Name: 2-amino-N-[2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]amino]-2-oxoethyl]-5-nitrobenzamide IUPAC Name: 2-amino-N-[2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-5-nitrobenzamide Traditional Name: 2-amino-N-[2-keto-2-[[(3R)-1-piperonylpyrrolidin-3-yl]amino]ethyl]-5-nitro-benzamide Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C[C@@H]1NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N5O6/c22-17-3-2-15(26(29)30)8-16(17)21(28)23-9-20(27)24-14-5-6-25(11-14)10-13-1-4-18-19(7-13)32-12-31-18/h1-4,7-8,14H,5-6,9-12,22H2,(H,23,28)(H,24,27)/t14-/m1/s1