5-(2-chloroethyl)-1,3,4-trimethyl-7-nitro-pyrimido[1,6-a]indole

Systemtic Name: 5-(2-chloroethyl)-1,3,4-trimethyl-7-nitro-pyrimido[1,6-a]indole Openeye Name: 5-(2-chloroethyl)-1,3,4-trimethyl-7-nitro-pyrimido[1,6-a]indole CAS Name: 5-(2-chloroethyl)-1,3,4-trimethyl-7-nitropyrimido[1,6-a]indole IUPAC Name: 5-(2-chloroethyl)-1,3,4-trimethyl-7-nitropyrimido[1,6-a]indole Traditional Name: 5-(2-chloroethyl)-1,3,4-trimethyl-7-nitro-pyrimid[1,6-a]indole Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N2C1=C(C3=C2C=CC(=C3)[N+](=O)[O-])CCCl)C)C

Isomeric SMILES

CC1=C(N=C(N2C1=C(C3=C2C=CC(=C3)[N+](=O)[O-])CCCl)C)C

InChI

InChI=1S/C16H16ClN3O2/c1-9-10(2)18-11(3)19-15-5-4-12(20(21)22)8-14(15)13(6-7-17)16(9)19/h4-5,8H,6-7H2,1-3H3