2-azanyl-3-methyl-5-(4-nitrophenyl)cyclopent-3-en-1-one; 3-(1-methylpyrrolidin-2-yl)pyridine

Systemtic Name: 2-azanyl-3-methyl-5-(4-nitrophenyl)cyclopent-3-en-1-one; 3-(1-methylpyrrolidin-2-yl)pyridine Openeye Name: 2-amino-3-methyl-5-(4-nitrophenyl)cyclopent-3-en-1-one; 3-(1-methylpyrrolidin-2-yl)pyridine CAS Name: 2-amino-3-methyl-5-(4-nitrophenyl)-1-cyclopent-3-enone; 3-(1-methyl-2-pyrrolidinyl)pyridine IUPAC Name: 2-amino-3-methyl-5-(4-nitrophenyl)cyclopent-3-en-1-one; 3-(1-methylpyrrolidin-2-yl)pyridine Traditional Name: 2-amino-3-methyl-5-(4-nitrophenyl)cyclopent-3-en-1-one; nicotine Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=O)C1N)C2=CC=C(C=C2)[N+](=O)[O-].CN1CCCC1C2=CN=CC=C2

Isomeric SMILES

CC1=CC(C(=O)C1N)C2=CC=C(C=C2)[N+](=O)[O-].CN1CCCC1C2=CN=CC=C2

InChI

InChI=1S/C12H12N2O3.C10H14N2/c1-7-6-10(12(15)11(7)13)8-2-4-9(5-3-8)14(16)17;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-6,10-11H,13H2,1H3;2,4,6,8,10H,3,5,7H2,1H3