sodium 3-[(E)-3-[[4-(aminocarbonylamino)phenyl]amino]-3-oxidanylidene-prop-1-enyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylate

Systemtic Name: sodium 3-[(E)-3-[[4-(aminocarbonylamino)phenyl]amino]-3-oxidanylidene-prop-1-enyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylate Openeye Name: sodium 4,6-dichloro-3-[(E)-3-oxo-3-(4-ureidoanilino)prop-1-enyl]-1H-indole-2-carboxylate CAS Name: sodium 3-[(E)-3-[4-(carbamoylamino)anilino]-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylate IUPAC Name: sodium 3-[(E)-3-[4-(carbamoylamino)anilino]-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylate Traditional Name: sodium 4,6-dichloro-3-[(E)-3-keto-3-(4-ureidoanilino)prop-1-enyl]-1H-indole-2-carboxylate Formula: C19H13Cl2N4NaO4 MolecularWeight: 455.22669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C=CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)[O-])NC(=O)N.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)/C=C/C2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)[O-])NC(=O)N.[Na+]

InChI

InChI=1S/C19H14Cl2N4O4.Na/c20-9-7-13(21)16-12(17(18(27)28)25-14(16)8-9)5-6-15(26)23-10-1-3-11(4-2-10)24-19(22)29;/h1-8,25H,(H,23,26)(H,27,28)(H3,22,24,29);/q;+1/p-1/b6-5+;