N-[2-(2-chlorophenyl)ethyl]-3-nitroso-but-2-en-2-amine; cobalt(2+); methanidylbenzene

Systemtic Name: N-[2-(2-chlorophenyl)ethyl]-3-nitroso-but-2-en-2-amine; cobalt(2+); methanidylbenzene Openeye Name: cobaltous; N-[2-(2-chlorophenyl)ethyl]-3-nitroso-but-2-en-2-amine; methanidylbenzene CAS Name: N-[2-(2-chlorophenyl)ethyl]-3-nitroso-2-buten-2-amine; cobalt(2+); methanidylbenzene IUPAC Name: N-[2-(2-chlorophenyl)ethyl]-3-nitrosobut-2-en-2-amine; cobalt(2+); methanidylbenzene Traditional Name: cobaltous; 2-(2-chlorophenyl)ethyl-(1-methyl-2-nitroso-prop-1-enyl)amine; methanidylbenzene Formula: C38H44Cl2CoN4O2 MolecularWeight: 718.62076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)N=O)NCCC1=CC=CC=C1Cl.CC(=C(C)N=O)NCCC1=CC=CC=C1Cl.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Co+2]

Isomeric SMILES

CC(=C(C)N=O)NCCC1=CC=CC=C1Cl.CC(=C(C)N=O)NCCC1=CC=CC=C1Cl.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Co+2]

InChI

InChI=1S/2C12H15ClN2O.2C7H7.Co/c2*1-9(10(2)15-16)14-8-7-11-5-3-4-6-12(11)13;2*1-7-5-3-2-4-6-7;/h2*3-6,14H,7-8H2,1-2H3;2*2-6H,1H2;/q;;2*-1;+2