2-[aminocarbonyl-[4-(pyridin-4-ylmethyl)phenyl]amino]-4-chloranyl-5-nitro-phenolate

Systemtic Name: 2-[aminocarbonyl-[4-(pyridin-4-ylmethyl)phenyl]amino]-4-chloranyl-5-nitro-phenolate Openeye Name: 2-[N-carbamoyl-4-(4-pyridylmethyl)anilino]-4-chloro-5-nitro-phenolate CAS Name: 2-[N-carbamoyl-4-(pyridin-4-ylmethyl)anilino]-4-chloro-5-nitrophenolate IUPAC Name: 2-[N-carbamoyl-4-(pyridin-4-ylmethyl)anilino]-4-chloro-5-nitrophenolate Traditional Name: 2-[N-carbamoyl-4-(4-pyridylmethyl)anilino]-4-chloro-5-nitro-phenolate Formula: C19H14ClN4O4- MolecularWeight: 397.79186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)N(C3=CC(=C(C=C3[O-])[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)N(C3=CC(=C(C=C3[O-])[N+](=O)[O-])Cl)C(=O)N

InChI

InChI=1S/C19H15ClN4O4/c20-15-10-17(18(25)11-16(15)24(27)28)23(19(21)26)14-3-1-12(2-4-14)9-13-5-7-22-8-6-13/h1-8,10-11,25H,9H2,(H2,21,26)/p-1