3-cyanopropyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: 3-cyanopropyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: 3-cyanopropyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid 3-cyanopropyl ester Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)OCCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5/c15-8-1-2-10-22-13(18)7-9-16-14(19)11-3-5-12(6-4-11)17(20)21/h3-6H,1-2,7,9-10H2,(H,16,19)