4-ethoxy-5-methoxy-2-nitro-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]benzamide

Systemtic Name: 4-ethoxy-5-methoxy-2-nitro-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: 4-ethoxy-5-methoxy-2-nitro-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2CCN(C2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N[C@H]2CCN(C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H25N3O5/c1-3-29-20-12-18(24(26)27)17(11-19(20)28-2)21(25)22-16-9-10-23(14-16)13-15-7-5-4-6-8-15/h4-8,11-12,16H,3,9-10,13-14H2,1-2H3,(H,22,25)/t16-/m0/s1