3-azanyl-N-[(E)-[4-[(2-bromophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-5-nitro-benzamide

Systemtic Name: 3-azanyl-N-[(E)-[4-[(2-bromophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-5-nitro-benzamide Openeye Name: 3-amino-N-[(E)-[3-(2-bromoanilino)-1-methyl-3-oxo-propylidene]amino]-5-nitro-benzamide CAS Name: 3-amino-N-[(E)-[4-(2-bromoanilino)-4-oxobutan-2-ylidene]amino]-5-nitrobenzamide IUPAC Name: 3-amino-N-[(E)-[4-(2-bromoanilino)-4-oxobutan-2-ylidene]amino]-5-nitrobenzamide Traditional Name: 3-amino-N-[(E)-[3-(2-bromoanilino)-3-keto-1-methyl-propylidene]amino]-5-nitro-benzamide Formula: C17H16BrN5O4 MolecularWeight: 434.24404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])N)CC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])N)/CC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C17H16BrN5O4/c1-10(6-16(24)20-15-5-3-2-4-14(15)18)21-22-17(25)11-7-12(19)9-13(8-11)23(26)27/h2-5,7-9H,6,19H2,1H3,(H,20,24)(H,22,25)/b21-10+