2-[(Z)-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]hydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(Z)-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]hydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(Z)-[[(2S,3S)-2-benzamido-3-methyl-1-oxopentyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-[[(2S,3S)-2-benzamido-3-methylpentanoyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(Z)-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]hydrazono]methyl]-4-nitro-phenolate Formula: C20H21N4O5- MolecularWeight: 397.40454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N/N=C\C1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N4O5/c1-3-13(2)18(22-19(26)14-7-5-4-6-8-14)20(27)23-21-12-15-11-16(24(28)29)9-10-17(15)25/h4-13,18,25H,3H2,1-2H3,(H,22,26)(H,23,27)/p-1/b21-12-/t13-,18-/m0/s1