1-(2-chloroethyl)-3-chrysen-6-yl-1-nitroso-urea

Systemtic Name: 1-(2-chloroethyl)-3-chrysen-6-yl-1-nitroso-urea Openeye Name: 1-(2-chloroethyl)-3-chrysen-6-yl-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-3-(6-chrysenyl)-1-nitrosourea IUPAC Name: 1-(2-chloroethyl)-3-chrysen-6-yl-1-nitrosourea Traditional Name: 1-(2-chloroethyl)-3-chrysen-6-yl-1-nitroso-urea Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)NC(=O)N(CCCl)N=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C21H16ClN3O2/c22-11-12-25(24-27)21(26)23-20-13-19-15-6-2-1-5-14(15)9-10-17(19)16-7-3-4-8-18(16)20/h1-10,13H,11-12H2,(H,23,26)