(3R,4S,6R)-2-azanylidene-4-cyclopropyl-6-(3-nitrophenyl)cyclohexane-1,1,3-tricarbonitrile

Systemtic Name: (3R,4S,6R)-2-azanylidene-4-cyclopropyl-6-(3-nitrophenyl)cyclohexane-1,1,3-tricarbonitrile Openeye Name: (3R,4S,6R)-4-cyclopropyl-2-imino-6-(3-nitrophenyl)cyclohexane-1,1,3-tricarbonitrile CAS Name: (3R,4S,6R)-4-cyclopropyl-2-imino-6-(3-nitrophenyl)cyclohexane-1,1,3-tricarbonitrile IUPAC Name: (3R,4S,6R)-4-cyclopropyl-2-imino-6-(3-nitrophenyl)cyclohexane-1,1,3-tricarbonitrile Traditional Name: (3R,4S,6R)-4-cyclopropyl-2-imino-6-(3-nitrophenyl)cyclohexane-1,1,3-tricarbonitrile Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2CC(C(C(=N)C2C#N)(C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1[C@@H]2C[C@@H](C(C(=N)[C@@H]2C#N)(C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O2/c19-8-15-14(11-4-5-11)7-16(18(9-20,10-21)17(15)22)12-2-1-3-13(6-12)23(24)25/h1-3,6,11,14-16,22H,4-5,7H2/t14-,15+,16+/m0/s1