1-[2-azanyl-4-[(4-nitrophenyl)amino]butanoyl]piperidine-2-carbonitrile

Systemtic Name: 1-[2-azanyl-4-[(4-nitrophenyl)amino]butanoyl]piperidine-2-carbonitrile Openeye Name: 1-[2-amino-4-(4-nitroanilino)butanoyl]piperidine-2-carbonitrile CAS Name: 1-[2-amino-4-(4-nitroanilino)-1-oxobutyl]-2-piperidinecarbonitrile IUPAC Name: 1-[2-amino-4-(4-nitroanilino)butanoyl]piperidine-2-carbonitrile Traditional Name: 1-[2-amino-4-(4-nitroanilino)butanoyl]pipecolinonitrile Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C#N)C(=O)C(CCNC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1CCN(C(C1)C#N)C(=O)C(CCNC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H21N5O3/c17-11-14-3-1-2-10-20(14)16(22)15(18)8-9-19-12-4-6-13(7-5-12)21(23)24/h4-7,14-15,19H,1-3,8-10,18H2