(E)-2-[2-(3-azanylpropyl)-3-oxidanylidene-pyrrolidin-1-yl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-2-[2-(3-azanylpropyl)-3-oxidanylidene-pyrrolidin-1-yl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-2-[2-(3-aminopropyl)-3-oxo-pyrrolidin-1-yl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-[2-(3-aminopropyl)-3-oxo-1-pyrrolidinyl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-[2-(3-aminopropyl)-3-oxopyrrolidin-1-yl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-[2-(3-aminopropyl)-3-keto-pyrrolidino]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C16H19ClN4O4 MolecularWeight: 366.79946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1=O)CCCN)C(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CN(C(C1=O)CCCN)/C(=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C(=O)N

InChI

InChI=1S/C16H19ClN4O4/c17-11-4-3-10(8-13(11)21(24)25)9-14(16(19)23)20-7-5-15(22)12(20)2-1-6-18/h3-4,8-9,12H,1-2,5-7,18H2,(H2,19,23)/b14-9+