4-acetamido-N-(4-chloranyl-3-nitro-phenyl)benzamide; 4-chloranyl-3-nitro-aniline

Systemtic Name: 4-acetamido-N-(4-chloranyl-3-nitro-phenyl)benzamide; 4-chloranyl-3-nitro-aniline Openeye Name: 4-acetamido-N-(4-chloro-3-nitro-phenyl)benzamide; 4-chloro-3-nitro-aniline CAS Name: 4-acetamido-N-(4-chloro-3-nitrophenyl)benzamide; 4-chloro-3-nitroaniline IUPAC Name: 4-acetamido-N-(4-chloro-3-nitrophenyl)benzamide; 4-chloro-3-nitroaniline Traditional Name: 4-acetamido-N-(4-chloro-3-nitro-phenyl)benzamide; (4-chloro-3-nitro-phenyl)amine Formula: C21H17Cl2N5O6 MolecularWeight: 506.29558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-].C1=CC(=C(C=C1N)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-].C1=CC(=C(C=C1N)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClN3O4.C6H5ClN2O2/c1-9(20)17-11-4-2-10(3-5-11)15(21)18-12-6-7-13(16)14(8-12)19(22)23;7-5-2-1-4(8)3-6(5)9(10)11/h2-8H,1H3,(H,17,20)(H,18,21);1-3H,8H2