N-[3-azanyl-1-[4-(cyclopropylmethylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(cyclopropylmethylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(cyclopropylmethylamino)-3-nitro-phenyl]-3-oxo-propyl]-3-bromo-benzamide CAS Name: N-[3-amino-1-[4-(cyclopropylmethylamino)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(cyclopropylmethylamino)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide Traditional Name: N-[3-amino-1-[4-(cyclopropylmethylamino)-3-nitro-phenyl]-3-keto-propyl]-3-bromo-benzamide Formula: C20H21BrN4O4 MolecularWeight: 461.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC1CNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O4/c21-15-3-1-2-14(8-15)20(27)24-17(10-19(22)26)13-6-7-16(18(9-13)25(28)29)23-11-12-4-5-12/h1-3,6-9,12,17,23H,4-5,10-11H2,(H2,22,26)(H,24,27)