2-bromanyl-2-(4-nitrophenyl)ethanoic acid; 5-(4-nitrophenyl)-2-propan-2-ylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

Systemtic Name: 2-bromanyl-2-(4-nitrophenyl)ethanoic acid; 5-(4-nitrophenyl)-2-propan-2-ylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one Openeye Name: 2-bromo-2-(4-nitrophenyl)acetic acid; 2-isopropylimino-5-(4-nitrophenyl)-3-(2-pyridylmethyl)thiazolidin-4-one CAS Name: 2-bromo-2-(4-nitrophenyl)acetic acid; 5-(4-nitrophenyl)-2-propan-2-ylimino-3-(2-pyridinylmethyl)-4-thiazolidinone IUPAC Name: 2-bromo-2-(4-nitrophenyl)acetic acid; 5-(4-nitrophenyl)-2-propan-2-ylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one Traditional Name: 2-bromo-2-(4-nitrophenyl)acetic acid; 2-isopropylimino-5-(4-nitrophenyl)-3-(2-pyridylmethyl)thiazolidin-4-one Formula: C26H24BrN5O7S MolecularWeight: 630.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1N(C(=O)C(S1)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=N3.C1=CC(=CC=C1C(C(=O)O)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)N=C1N(C(=O)C(S1)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=N3.C1=CC(=CC=C1C(C(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S.C8H6BrNO4/c1-12(2)20-18-21(11-14-5-3-4-10-19-14)17(23)16(26-18)13-6-8-15(9-7-13)22(24)25;9-7(8(11)12)5-1-3-6(4-2-5)10(13)14/h3-10,12,16H,11H2,1-2H3;1-4,7H,(H,11,12)