N3-tert-butyl-N2-(2-chlorophenyl)-6,7-dinitro-quinoxaline-2,3-diamine

Systemtic Name: N3-tert-butyl-N2-(2-chlorophenyl)-6,7-dinitro-quinoxaline-2,3-diamine Openeye Name: N3-tert-butyl-N2-(2-chlorophenyl)-6,7-dinitro-quinoxaline-2,3-diamine CAS Name: N3-tert-butyl-N2-(2-chlorophenyl)-6,7-dinitroquinoxaline-2,3-diamine IUPAC Name: 3-N-tert-butyl-2-N-(2-chlorophenyl)-6,7-dinitroquinoxaline-2,3-diamine Traditional Name: tert-butyl-[3-(2-chloroanilino)-6,7-dinitro-quinoxalin-2-yl]amine Formula: C18H17ClN6O4 MolecularWeight: 416.81838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC2=CC(=C(C=C2N=C1NC3=CC=CC=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=NC2=CC(=C(C=C2N=C1NC3=CC=CC=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN6O4/c1-18(2,3)23-17-16(20-11-7-5-4-6-10(11)19)21-12-8-14(24(26)27)15(25(28)29)9-13(12)22-17/h4-9H,1-3H3,(H,20,21)(H,22,23)