methyl 4-[[1-[(3-methoxy-2-nitro-phenyl)methyl]pyrrolidin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[1-[(3-methoxy-2-nitro-phenyl)methyl]pyrrolidin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[1-[(3-methoxy-2-nitro-phenyl)methyl]pyrrolidin-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[1-[(3-methoxy-2-nitrophenyl)methyl]-3-pyrrolidinyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[1-[(3-methoxy-2-nitrophenyl)methyl]pyrrolidin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[1-(3-methoxy-2-nitro-benzyl)pyrrolidin-3-yl]amino]butyric acid methyl ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[N+](=O)[O-])CN2CCC(C2)NC(=O)CCC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1[N+](=O)[O-])CN2CCC(C2)NC(=O)CCC(=O)OC

InChI

InChI=1S/C17H23N3O6/c1-25-14-5-3-4-12(17(14)20(23)24)10-19-9-8-13(11-19)18-15(21)6-7-16(22)26-2/h3-5,13H,6-11H2,1-2H3,(H,18,21)